(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone

C17H16BrNO — CID 116597248

IUPAC(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
SMILESNc1cc(Br)cc(C(=O)c2ccc(C3CCC3)cc2)c1
InChIInChI=1S/C17H16BrNO/c18-15-8-14(9-16(19)10-15)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3,19H2
InChIKeyABEMXSFDPAJVOD-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.53
Rot. Bonds3

About (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone

(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone (PubChem CID 116597248) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
PubChem CID116597248
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
SMILESNc1cc(Br)cc(C(=O)c2ccc(C3CCC3)cc2)c1
InChIInChI=1S/C17H16BrNO/c18-15-8-14(9-16(19)10-15)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3,19H2
InChIKeyABEMXSFDPAJVOD-UHFFFAOYSA-N
XLogP4.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116505708
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411
(4-aminophenyl)-(3-cyclobutylphenyl)methanone
CID 114607433
(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone
CID 116505707
(4-cyclobutylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967818
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506
(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068594
3-amino-5-bromo-N-cyclopentylbenzamide
CID 75537164
(4-cyclobutylphenyl)-(2-methyl-4-pyridinyl)methanone
CID 106754787
(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
CID 116505677

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone?
The IUPAC name of (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone (CID 116597248) is (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone.
What is the SMILES notation for (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone?
The canonical SMILES for (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone is Nc1cc(Br)cc(C(=O)c2ccc(C3CCC3)cc2)c1.
What is the InChIKey of (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone?
The InChIKey is ABEMXSFDPAJVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-15-8-14(9-16(19)10-15)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3,19H2.
What are the key properties of (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone?
(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone has a molecular weight of 330.23 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone is sourced from PubChem (CID 116597248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).